N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide

C19H20N2OS — CID 4227699

IUPACN-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N2OS/c1-13(2)9-10-20-19(22)15-12-17(18-8-5-11-23-18)21-16-7-4-3-6-14(15)16/h3-8,11-13H,9-10H2,1-2H3,(H,20,22)
InChIKeyMGSYCIZUXOWPJC-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.74
Rot. Bonds5

About N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4227699) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4227699
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N2OS/c1-13(2)9-10-20-19(22)15-12-17(18-8-5-11-23-18)21-16-7-4-3-6-14(15)16/h3-8,11-13H,9-10H2,1-2H3,(H,20,22)
InChIKeyMGSYCIZUXOWPJC-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006
(S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16064397
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53325403
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 4227699) is N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide is CC(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is MGSYCIZUXOWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13(2)9-10-20-19(22)15-12-17(18-8-5-11-23-18)21-16-7-4-3-6-14(15)16/h3-8,11-13H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4227699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).